Tag: M.W:100-200

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Gas electron diffraction and quantum chemical study of the structure of a 2-nitrobenzenesulfonyl chloride molecule.Quality Control of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

A combined gas electron diffraction and quantum chem. (B3LYP/6-311+G**, B3LYP/cc-pVTZ, B3LYP/cc-pVTZ, midix (Cl), and MP2/cc-pVTZ) study of the structure of a 2-NO2-C6H4-SO2Cl mol. is performed. It is found exptl. that at a temperature of 345(5) K the gas phase contains two conformers of the C 1 symmetry. Conformer I with a nearly perpendicular arrangement of the S-Cl bond with respect to the benzene ring plane (the C(NO2)-C-S-Cl torsion angle is 84(3)°) is contained predominantly (69(12)%). In conformer II, the S-Cl bond is located near the benzene ring plane (the C(NO2)-C-S-Cl angle is 172(3)°). The following exptl. internuclear distances (Å) are obtained for conformer I: rh1(C-H) = 1.064(15), rh1(C-C)av = 1.397(3), rh1(C-S) = 1.761(6), rh1(S-O)av = 1.426(4), rh1(S-Cl) = 2.043(5), rh1(N-O)av = 1.222(4), rh1(C-N) = 1.485(16). In both conformers, the NO2 group is turned by more than 30° relative to the benzene ring plane.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The inhibition of growth of sarcoma 180 by combinations of vitamin B6 antagonists and acid hydrazides》. Authors are Brockman, R. Wallace; Thomson, J. Richard; Schabel, Frank M. Jr.; Skipper, Howard E..The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).HPLC of Formula: 148-51-6. Through the article, more information about this compound (cas:148-51-6) is conveyed.

Deoxypyridoxine-HCl (I) and deoxypyridoxine phosphate (II) significantly restricted growth of sarcoma 180 in mice on a diet deficient in vitamin B6 (III), but not in mice on a complete diet. Many compounds of the acid hydrazide type also restricted growth of the sarcoma on a diet deficient in III, but none except 1,5-diaminobiuret at high dosage levels affected the tumor in mice on a complete diet. Combinations of II with acid hydrazides were more inhibitory to the tumor in mice on a complete diet than were combinations of I with acid hydrazides. The same combinations given to mice deficient in III resulted in severe restriction of tumor growth. Vitamins of the III group, i.e., pyridoxine-HCl, pyridoxamine-HCl, pyridoxal-HCl, and pyridoxal phosphate (IV), almost completely prevented the tumor-inhibiting effect of the combinations. Spectrophotometric studies demonstrated ability of the representative acid hydrazides to react with IV. The observed ability of acid hydrazides to enhance the inhibition of sarcoma 180 produced by III-deficiency and III-antagonists is attributed to formation of an inactive conjugate between the acid hydrazides and IV.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Yamashita, Junko researched the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6 ).Synthetic Route of C8H12ClNO2.They published the article 《Convulsive seizure induced by intracerebral injection of semicarbazide (an anti-vitamin B6) in the mouse》 about this compound( cas:148-51-6 ) in Journal of Nutritional Science and Vitaminology. Keywords: semicarbazide convulsion; antivitamin B6 convulsion. We’ll tell you more about this compound (cas:148-51-6).

Intracerebral injection of semicarbazide-HCl (I) [563-41-7] was more effective than systemic administration in inducing convulsions and tremors in mice. The symptoms were prevented by pyridoxine [65-23-6], aminooxyacetic acid [645-88-5] and acetone [67-64-1], but were enhanced by pyridoxal [66-72-8], pyridoxal phosphate [54-47-7] and other anti-B6 agents. Smaller doses of I were required for induction of the symptoms in vitamin B6-deficient mice than in controls. I applied to the vicinity of the lambda caused running fits, followed by convulsions and tremors.

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Pyrimidine | C4H4N2 – PubChem,
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Kosower, Nechama S.; Rock, Rica A. published an article about the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl ).Electric Literature of C8H12ClNO2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:148-51-6) through the article.

Rats made porphyric by allylisopropylacetamide (I) are susceptible to induced convulsions. Female Sprague-Dawley rats (150-160 g.) were injected daily with 400 mg. I/kg. in 0.15M NaCl for 8-10 days. Controls received NaCl. Twenty-four hrs. after the last injection, control and exptl. animals were injected with isonicotinoylhydrazide (II) or 4-methoxymethylpyridoxol-HCl (III) at pH 7, or deoxypyridoxol-HCl (IV) at pH 7. Other animals were given pyridoxal-HCl (V) 15 min. prior to injection of the compounds At 0.75 millimoles II/kg., clonic-tonic convulsions occurred in 60% of porphyric rats and in none of the controls; at 1.12 millimoles/kg., 90% of the porphyric rats convulsed, and 20% of controls. At 0.5-2 millimoles/kg., V did not alter the convulsions induced by II. Following III at 0.25 millimoles/kg., 70% of porphyric rats convulsed, and all convulsed at 0.75 millimoles/kg. (but no controls convulsed). No difference was noted between controls and animals injected with IV. These compounds may act by interfering with pyridoxal 5-phosphate in the nervous system.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

COA of Formula: C5H11NO. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (S)-3-Methoxypyrrolidine, is researched, Molecular C5H11NO, CAS is 120099-61-8, about Design, synthesis and biological evaluation of benzo[cd]indol-2(1H)-one derivatives as BRD4 inhibitors. Author is Feng, Yuxin; Xiao, Senhao; Chen, Yantao; Jiang, Hao; Liu, Na; Luo, Cheng; Chen, Shijie; Chen, Hua.

A series of benzo[cd]indol-2(1H)-one derivatives were designed by structural optimization based on compound I and evaluated for their BRD4 (bromodomain-containing protein 4) inhibitory activity. The results showed that four compounds are the most potential ones with the IC50 values of 1.02 μM, 1.43 μM, 1.55 μM and 3.02 μM. According to their co-crystal structures in complex with BRD4_BD1 and the protein thermal shift assays, the binding modes were revealed that the addnl. indirect hydrogen bonds and hydrophobic interactions make such four compounds more active than I against BRD4. Furthermore, compounds I, 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)pyrrolidine-2-carbohydrazide and 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)pyrrolidine-2-carboxylic acid were chosen to evaluate for their antiproliferative activities on the MLL-AF4-expression acute leukemia cell line (MV4-11), other cancer cell lines and the non-cancer cell lines. The results showed that these compounds exhibited good and selective inhibitory activities against MV4-11 cells with the IC50 values of 11.67 μM, 5.55 μM, and 11.54 μM, resp., and could act on the cell proliferation by blocking cell cycle at G1 phase. They could markedly down-regulate the expressions of the c-Myc, Bcl-2 and CDK6 oncogenes in MV4-11 in the qRT-PCR and western blot studies, which further demonstrated that compound I and its derivatives could serve as a promising therapeutic strategy for MLL leukemia by targeting BRD4_BD1 protein.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Berg, Maya; Bal, Gunther; Goeminne, Annelies; Van der Veken, Pieter; Versees, Wim; Steyaert, Jan; Haemers, Achiel; Augustyns, Koen published the article 《Synthesis of bicyclic N-arylmethyl-substituted iminoribitol derivatives as selective nucleoside hydrolase inhibitors》. Keywords: bicyclic iminoribitol selective nucleoside hydrolase inhibitor structure activity.They researched the compound: 4-Chloro-8-methylquinoline( cas:18436-73-2 ).Electric Literature of C10H8ClN. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:18436-73-2) here.

The purine metabolism of Trypanosoma and Leishmania spp. provides a good target in the search for new selective drugs. Bicyclic N-arylmethyl-substituted iminoribitols were developed as inhibitors of T. vivax nucleoside hydrolase, a key enzyme of the purine salvage pathway. The obtained results and structure-activity data confirmed our model for inhibitor binding with a hydrogen bond between a nitrogen atom of the nucleobase mimetic and the protonated Asp40 from the enzyme. This interaction depends on an optimal pKa value, which can be influenced by the electronic properties of the substituents. These compounds are potent, selective inhibitors of nucleoside hydrolase and are inactive toward human nucleoside phosphorylase.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Meta-Analysis, Review, Addiction (Abingdon, England) called Smoking cessation in severe mental illness: what works?, Author is Banham, Lindsay; Gilbody, Simon, which mentions a compound: 148-51-6, SMILESS is OC1=C(C)C(CO)=CN=C1C.[H]Cl, Molecular C8H12ClNO2, Safety of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

AIMS: The physical health of people with severe mental illness (SMI) is poor. Smoking-related illnesses are a major contributor to excess mortality and morbidity. An up-to-date review of the evidence for smoking cessation interventions in SMI is needed to inform clinical guidelines. METHODS: We searched bibliographic databases for relevant studies and independently extracted data. Included studies were randomized controlled trials (RCTs) of smoking cessation or reduction conducted in adult smokers with SMI. Interventions were compared to usual care or placebo. The primary outcome was smoking cessation and secondary outcomes were smoking reduction, change in weight, change in psychiatric symptoms and adverse events. RESULTS: We included eight RCTs of pharmacological and/or psychological interventions. Most cessation interventions showed moderate positive results, some reaching statistical significance. One study compared behavioural support and nicotine replacement therapy (NRT) to usual care and showed a risk ratio (RR) of 2.74 (95% CI 1.10-6.81) for short-term smoking cessation, which was not significant at longer follow-up. We pooled five trials that effectively compared bupropion to placebo giving an RR of 2.77 (95% CI 1.48-5.16), which was comparable to Hughes et al.’s 2009 figures for general population data; RR = 1.69 (95% CI 1.53-1.85). Smoking reduction data were too heterogeneous for meta-analysis, but results were generally positive. Trials suggest few adverse events. All trials recorded psychiatric symptoms and the most significant changes favoured the intervention groups over the control groups. CONCLUSIONS: Treating tobacco dependence is effective in patients with SMI. Treatments that work in the general population work for those with severe mental illness and appear approximately equally effective. Treating tobacco dependence in patients with stable psychiatric conditions does not worsen mental state.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Studies on anticoccidial agents. Part VI. Modification at the 2-position of 4-deoxypyridoxol and α4-norpyridoxol, the main research direction is pyridoxol derivative anticoccidial; norpyridoxol derivative anticoccidial; coccidiostat pyridoxol norpyridoxol.Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

The title derivatives I (R = Me, R1 = Et; R = R1 = H; R = H, R1 = HOCH2; R = H, R1 = MeO) were prepared Thus, I (R = H, R1 = Me) was treated with PhCH2Cl and the product oxidized and treated with Ac2O to give 2-(acetoxymethyl)-3-(benzyloxy)-5-(benzyloxymethyl)pyridine, which was hydrolyzed and hydrogenated to give I (R = H, R1 = HOCH2). At 200 ppm I (R = H, R1 = MeO) had anticoccidial activity against Eimeria acervulina.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Babu, Krishnan Suresh; Paradesi, Deivanayagam published an article about the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl ).Product Details of 148-51-6. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:148-51-6) through the article.

A new reversed-phase high-performance liquid chromatog. (RP-HPLC) method has been developed for the separation and identification of impurities present in metadoxine. Herein, we report that one of the impurities eluted from the metadoxine sample is 4-deoxypyridoxine hydrochloride (4-DPH). In HPLC anal., the retention time (RT) of 4-DPH was observed to be at 13.5 min in both the reference and metadoxine samples and the relative retention time (RRT) was 1.71. The presence of 4-DPH in a metadoxine sample was also confirmed by a chromatogram obtained by spiking the 4-DPH standard into the sample. Furthermore, the elution and mass of impurity 4-DPH in metadoxine was proven by LC-mass spectroscopy studies. This method highlights the presence of another unknown impurity that has so far not been observed in earlier methods of metadoxine evaluation. Hence, the developed method achieved superior resolution between metadoxine and impurities and thereby facilitates the production of a purer metadoxine drug.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Bromo-3-methoxypropanoic acid(SMILESS: O=C(O)C(Br)COC,cas:65090-78-0) is researched.Quality Control of 5-Methylfuran-2(3H)-one. The article 《New and alternate synthesis of lacosamide with chemoenzymatic method》 in relation to this compound, is published in Journal of Chemical and Pharmaceutical Research. Let’s take a look at the latest research on this compound (cas:65090-78-0).

Lacosamide [(R)-2-acetamido-N-benzyl-3-methoxy propionamide] 5 is a novel antiepileptic drug. Lacosamide was prepared by a chem. method with enzymic resolution of racemic lacosamide. Herein is reported an expedient four-steps enantioselective synthesis of lacosamide 5 beginning with Me 2,3-dibromo propionate 1. A new resolution process catalyzed by Novozyme 435. The products were obtained in very good yields and in a state of high purity. All the newly synthesized compounds (2-5) were characterized by their spectral (IR, 1H NMR, C13 NMR and MS) data.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia